Explore the Potential with AI-Driven Innovation
This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior activity, selectivity and safety.
The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.
In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.
We employ our advanced, specialised process to create targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q8N8W4
UPID:
PLPL1_HUMAN
Alternative names:
Patatin-like phospholipase domain-containing protein 1
Alternative UPACC:
Q8N8W4; A3RMU3; J3JS20; Q2A6N1; Q3SY95; Q3SY96; Q5R3L2
Background:
Omega-hydroxyceramide transacylase, also known as Patatin-like phospholipase domain-containing protein 1, plays a crucial role in skin barrier formation. It catalyzes the synthesis of omega-O-acylceramides, vital for the epidermis barrier function and keratinocyte differentiation. These lipids are essential for the biogenesis of lipid lamellae in the stratum corneum and the formation of the cornified lipid envelope.
Therapeutic significance:
The protein's involvement in autosomal recessive congenital ichthyosis highlights its therapeutic significance. Understanding the role of Omega-hydroxyceramide transacylase could open doors to potential therapeutic strategies for skin disorders characterized by abnormal scaling and barrier dysfunction.